2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride

C9H7ClF3NO2S — CID 71380234

IUPAC2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride
SMILESCc1ccc(S(=O)(=O)N=C(Cl)C(F)(F)F)cc1
InChIInChI=1S/C9H7ClF3NO2S/c1-6-2-4-7(5-3-6)17(15,16)14-8(10)9(11,12)13/h2-5H,1H3
InChIKeyNBPIBWTWOOLOBP-UHFFFAOYSA-N
MW285.67 g/mol
LogP2.88
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride

2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride (PubChem CID 71380234) has the molecular formula C9H7ClF3NO2S and a molecular weight of 285.67 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride
PubChem CID71380234
Molecular FormulaC9H7ClF3NO2S
Molecular Weight285.67 g/mol
Exact Mass284.98
IUPAC Name2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride
SMILESCc1ccc(S(=O)(=O)N=C(Cl)C(F)(F)F)cc1
InChIInChI=1S/C9H7ClF3NO2S/c1-6-2-4-7(5-3-6)17(15,16)14-8(10)9(11,12)13/h2-5H,1H3
InChIKeyNBPIBWTWOOLOBP-UHFFFAOYSA-N
XLogP2.88
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
(NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide
CID 71816820
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
N-[chloro-(4-methylphenyl)-(trifluoromethylsulfonylimino)-lambda6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 15639821
1-methyl-4-(1,1,2,2,2-pentafluoroethylsulfonyl)benzene
CID 53429734
3-hydroxy-3-methyl-N'-(4-methylphenyl)sulfonylbutanimidamide
CID 158662021
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 163201515

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride (CID 71380234) is 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride is Cc1ccc(S(=O)(=O)N=C(Cl)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride?
The InChIKey is NBPIBWTWOOLOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2S/c1-6-2-4-7(5-3-6)17(15,16)14-8(10)9(11,12)13/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride?
2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride has a molecular weight of 285.67 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride is sourced from PubChem (CID 71380234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).